4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide

C24H26N4O2 — CID 110259820

IUPAC4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(C2CCCN(C(=O)CCc3ccccc3)C2)nc1-c1ccccc1
InChIInChI=1S/C24H26N4O2/c25-23(30)22-21(18-10-5-2-6-11-18)26-24(27-22)19-12-7-15-28(16-19)20(29)14-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2,(H2,25,30)(H,26,27)
InChIKeyHPEDLNJYYWQEPW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.51
Rot. Bonds6

About 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide

4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 110259820) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
PubChem CID110259820
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(C2CCCN(C(=O)CCc3ccccc3)C2)nc1-c1ccccc1
InChIInChI=1S/C24H26N4O2/c25-23(30)22-21(18-10-5-2-6-11-18)26-24(27-22)19-12-7-15-28(16-19)20(29)14-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2,(H2,25,30)(H,26,27)
InChIKeyHPEDLNJYYWQEPW-UHFFFAOYSA-N
XLogP3.51
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620291
4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092743
4-(4-methoxyphenyl)-2-[1-(2-phenoxyacetyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092729
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820909
6-methyl-2-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869411
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092754
2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620322
(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 56933092
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 55483571
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide (CID 110259820) is 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c(C2CCCN(C(=O)CCc3ccccc3)C2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is HPEDLNJYYWQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-23(30)22-21(18-10-5-2-6-11-18)26-24(27-22)19-12-7-15-28(16-19)20(29)14-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2,(H2,25,30)(H,26,27).
What are the key properties of 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110259820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).